CHEBI:48690 - 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid
ChEBI ID CHEBI:48690
ChEBI ASCII Name 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C9H12O4
Net Charge 0
Average Mass 184.18918
Monoisotopic Mass 184.07356
InChI InChI=1S/C9H12O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-3,7,9-10,13H,4-5H2,(H,11,12)/t7-,9+/m1/s1
InChIKey RKDFGWAXBBGKMR-APPZFPTMSA-N
SMILES O[C@@H]1C=CC=C(CCC(O)=O)[C@@H]1O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid (CHEBI:48690) is a 3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoic acid (CHEBI:48691)
3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid (CHEBI:48690) is conjugate acid of 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoate (CHEBI:60088)
3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid (CHEBI:48690) is enantiomer of 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid (CHEBI:10472)
Incoming 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoate (CHEBI:60088) is conjugate base of 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid (CHEBI:48690)
3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid (CHEBI:10472) is enantiomer of 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid (CHEBI:48690)
IUPAC Name
3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dien-1-yl]propanoic acid
Last Modified
19 August 2010